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BDBM50137731 (1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-sec-butylaminooxalyl-butyl)-amide::CHEMBL314544

SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC(C)CC

InChI Key: InChIKey=LHYXNPHHRXIDQE-VGTGIRBZSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137731   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50137731
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC(C)CC
Show InChI InChI=1S/C33H51N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h14-16,18-23,25-27H,8-13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20?,21-,22-,23?,25-,26-,27-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 257-61 (2003)


BindingDB Entry DOI: 10.7270/Q20P0ZDG
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50137731
PNG
((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC(C)CC
Show InChI InChI=1S/C33H51N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h14-16,18-23,25-27H,8-13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20?,21-,22-,23?,25-,26-,27-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 257-61 (2003)


BindingDB Entry DOI: 10.7270/Q20P0ZDG
More data for this
Ligand-Target Pair